AC1LRKDU

(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Also Known As: (2E)-3-{2-[(4-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate|(2E)-3-{2-[(4-chlorobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid|(E)-3-(2-((4-chlorobenzyl)oxy)phenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid|(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Molecular Formula	C19H16ClN3O3S
Molecular Weight	401.0601 g/mol
LogP	4.56332
Topological Polar Surface Area	88.1 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	401.0601
Monoisotopic Mass	401.0601
Heavy Atoms	27
Complexity	970.34106

Chemical Identifiers

CAS Number	578002-67-2
SMILES	CC1=NC(=NN1)S/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)/C(=O)O